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104501-02-2 | 1H-Pyrrole-2-carboxaldehyde,1-(2-propynyl)-(9CI)
CAS No: 104501-02-2 Catalog No: AG008V9U MDL No:MFCD11695061
Product Description
Catalog Number:
AG008V9U
Chemical Name:
1H-Pyrrole-2-carboxaldehyde,1-(2-propynyl)-(9CI)
CAS Number:
104501-02-2
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD11695061
IUPAC Name:
1-prop-2-ynylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C8H7NO/c1-2-5-9-6-3-4-8(9)7-10/h1,3-4,6-7H,5H2
InChI Key:
PTGZZDLIHWQCBN-UHFFFAOYSA-N
SMILES:
C#CCn1cccc1C=O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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